Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLIEREKTVYYKEKPDPSSLGFGQYFTDYMFVMDYEEGIGWHHPRIAPYAPLTLDPSSSVFHYGQAVFEGLKAYRTDDGRVLLFRPDQNIKRLNRSCERMSMPPLDEELVLEALTQ-LVELEKDWVPKEKGTSLYIRPFVIATEP--SLGVKASRSYTFMIVLSPVGSYYGDDQLKPVRIYVEDEYVRAVNGGVGFAKTAGNYAASLQAQRKANELGYDQVLWLDAIEKKYVEEVGSMNIFFVINGEAVTPALSGSILSGVTRASAIELIRSWGIPVREERISIDEVYAASARGELTEVFGTGTAAVVTPVGELNIHGKTVIVGDGQIGDLSKKLYETITDIQLGKVKGPFNWTVEV 5CE8 Chain:A ((31-306)) ------------------------------------------------------VLSPS---LNYGFGVFEGIRAYWNGEN-LYVFRLRDHMERLLRSAKIIG---LDVPYTAEELSKAVVETVRANGFKE---DLYIRPVAYISKPQISLDVRGLQA-SVAIAAIPFGKYL---KVEGVRAAVVSWRRVHTSMMPVMAKATGIYLNSIMAAVEARARGYDEAIMLNA-EGKVVEGSGE-NIFIVRRGVLMTPPLEDGILEGITRETVISIAGDLGIPLLEKSITREELYAAD------EAFFVGTAAEITPI--IEIDGRVL-----QRGPITQKIAETYRRIVLGKEEKYLPWLTPV

General information: TITO was launched using: RESULT: Template: 5CE8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1491 -163291 -109.52 -598.14 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -109.52 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_5CE8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CE8-query.scw PDB file : Tito_Scwrl_5CE8.pdb: